1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone

C17H26FN3O — CID 113073822

IUPAC1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCN(C)CCCN1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H26FN3O/c1-19(2)7-4-8-20-9-11-21(12-10-20)17(22)14-15-5-3-6-16(18)13-15/h3,5-6,13H,4,7-12,14H2,1-2H3
InChIKeyNFRUBTXDXSDFAD-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.46
Rot. Bonds6

About 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 113073822) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID113073822
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCN(C)CCCN1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H26FN3O/c1-19(2)7-4-8-20-9-11-21(12-10-20)17(22)14-15-5-3-6-16(18)13-15/h3,5-6,13H,4,7-12,14H2,1-2H3
InChIKeyNFRUBTXDXSDFAD-UHFFFAOYSA-N
XLogP1.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone (CID 113073822) is 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone is CN(C)CCCN1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is NFRUBTXDXSDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-19(2)7-4-8-20-9-11-21(12-10-20)17(22)14-15-5-3-6-16(18)13-15/h3,5-6,13H,4,7-12,14H2,1-2H3.
What are the key properties of 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 307.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 113073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).